(3α,5Beta,7α,12α)-3,7,12-Trihydroxy-N-[2-(1H-Imidazol-5-Yl)Ethyl]Cholan-24-Amide

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Properties Simple | Detailed

Formula C29H47N3O4
IUPAC Name ammonia; (4r)-n-methyl-4-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanamide
Molecular Mass 501.701 g·mol−1
Heat of Formation -963.3 ± 16.7 kJ·mol−1
Dipole Moment 12.19 ± 1.08 D
Volume 633.59 Å 3
Surface Area 491.48 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 3.94 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-n-[2-(3h-imidazol-4-yl)ethyl]-4-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanamide
  • (4r)-n-[2-(3h-imidazol-4-yl)ethyl]-4-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]valeramide
  • cholestan-24-amide, 3,7,12-trihydroxy-n-(2-(1h-imidazol-5-yl)ethyl)-, (3alpha,7alpha,12alpha)-
  • cholylhistamine
CAS Number(s)
  • 35179-35-2
InChIKey RZLDSBTXXJRIRU-OLVWRROUSA-N
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